SCHEMBL736579

SCHEMBL736579

O=C1COC2(CCN(c3ccc(O)cc3)CC2)CN1c1ccnc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.40
OPRM1 P35372 3/20 0.40
FASN P49327 2/20 0.33
CYP2C9 P11712 3/20 0.32
CYP3A4 P08684 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 2/20 0.31
WNT3A P56704 4/20 0.31
DEGS1 O15121 2/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
HIF1A Q16665 1/20 0.30
KCNJ1 P48048 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL737212 0.87 SIGMAR1 (0.39) SIGMAR1OPRM1CYP2C9CYP3A4LMNA
SCHEMBL737008 0.85 SIGMAR1 (0.42) SIGMAR1OPRM1FASNCYP2C9CYP3A4
SCHEMBL736591 0.83 SIGMAR1 (0.48) SIGMAR1OPRM1LMNAGAAHTT
SCHEMBL737803 0.83 SIGMAR1 (0.47) SIGMAR1OPRM1CYP2C9CYP3A4LMNA
SCHEMBL738549 0.80 SIGMAR1 (0.40) SIGMAR1OPRM1
SCHEMBL737119 0.80 HRH3 (0.47) SIGMAR1OPRM1CYP3A4GAAALDH1A1
SCHEMBL735357 0.80 SIGMAR1 (0.61) SIGMAR1OPRM1CYP2C9LMNAGAA
SCHEMBL736160 0.79 HRH3 (0.41)
SCHEMBL737501 0.78 SIGMAR1 (0.45) SIGMAR1OPRM1FASNGAAHTT
SCHEMBL736347 0.77 SIGMAR1 (0.45) SIGMAR1OPRM1LMNAGAAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 SIGMAR1 11/4885OPRM1 15/4885FASN 4745/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.